| General Property |
| Molceule ID (DB) | EGIN0004817 |
| Inhibitor Class | Unknown |
| Molecule Name in Refrence Article | 9 |
| IUPAC Name | 2-(2-{[3-cyano-6-(4-ethoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamido)acetic acid |
| Formula | C19H16F3N3O4S |
| Mass | 439.408 |
| Exact Mass | 439.0813613 |
| Composition | C (51.93%), H (3.67%), F (12.97%), N (9.56%), O (14.56%), S (7.3%) |
| Atom Count | 46 |
| PI | 0.97 |
| Smiles | CCOc1ccc(cc1)c1cc(c(c(n1)SCC(=O)NCC(=O)O)C#N)C(F)(F)F |
| InChI | 1S/C19H16F3N3O4S/c1-2-29-12-5-3-11(4-6-12)15-7-14(19(20,21)22)13(8-23)18(25-15)30-10-16(26)24-9-17(2
7)28/h3-7H,2,9-10H2,1H3,(H,24,26)(H,27,28) |
| InChIKey | KKPSVRBMKZDYCS-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 22595177 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
1086535
|
| Drug Bank Link | - |
| ChemSpider Link | 926386 |
| ChEMBL Link | - |
